4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol

C23H27FN4O3 — CID 46953574

IUPAC4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)ccc1O
InChIInChI=1S/C23H27FN4O3/c1-26-9-8-25-23(26)22(30)17-4-3-5-18(24)21(17)28-12-10-27(11-13-28)15-16-6-7-19(29)20(14-16)31-2/h3-9,14,22,29-30H,10-13,15H2,1-2H3
InChIKeyOGOYOMZMTHAZCW-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.68
Rot. Bonds6

About 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol

4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 46953574) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID46953574
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)ccc1O
InChIInChI=1S/C23H27FN4O3/c1-26-9-8-25-23(26)22(30)17-4-3-5-18(24)21(17)28-12-10-27(11-13-28)15-16-6-7-19(29)20(14-16)31-2/h3-9,14,22,29-30H,10-13,15H2,1-2H3
InChIKeyOGOYOMZMTHAZCW-UHFFFAOYSA-N
XLogP2.68
TPSA73.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 92567317
(S)-[3-fluoro-2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 95801488
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220782
3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 110220707
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220788
[2-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220787
(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 92567353

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol (CID 46953574) is 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol is COc1cc(CN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)ccc1O.
What is the InChIKey of 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is OGOYOMZMTHAZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-26-9-8-25-23(26)22(30)17-4-3-5-18(24)21(17)28-12-10-27(11-13-28)15-16-6-7-19(29)20(14-16)31-2/h3-9,14,22,29-30H,10-13,15H2,1-2H3.
What are the key properties of 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol?
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 426.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 46953574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).